methyl-[(2-oxocyclopentyl)methoxymethylidene]oxidanium

C8H12O3 — CID 102070842

IUPACmethyl-[(2-oxocyclopentyl)methoxymethylidene]oxidanium
SMILESC/[O+]=[C-]/OCC1CCCC1=O
InChIInChI=1S/C8H12O3/c1-10-6-11-5-7-3-2-4-8(7)9/h7H,2-5H2,1H3
InChIKeyGNNZZRCGRMZOBS-UHFFFAOYSA-N
MW156.18 g/mol
LogP0.60
Rot. Bonds3

About methyl-[(2-oxocyclopentyl)methoxymethylidene]oxidanium

methyl-[(2-oxocyclopentyl)methoxymethylidene]oxidanium (PubChem CID 102070842) has the molecular formula C8H12O3 and a molecular weight of 156.18 g/mol. Its IUPAC name is methyl-[(2-oxocyclopentyl)methoxymethylidene]oxidanium.

Molecular Properties

Compound Namemethyl-[(2-oxocyclopentyl)methoxymethylidene]oxidanium
PubChem CID102070842
Molecular FormulaC8H12O3
Molecular Weight156.18 g/mol
Exact Mass156.08
IUPAC Namemethyl-[(2-oxocyclopentyl)methoxymethylidene]oxidanium
SMILESC/[O+]=[C-]/OCC1CCCC1=O
InChIInChI=1S/C8H12O3/c1-10-6-11-5-7-3-2-4-8(7)9/h7H,2-5H2,1H3
InChIKeyGNNZZRCGRMZOBS-UHFFFAOYSA-N
XLogP0.60
TPSA37.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.18
LogP ≤ 50.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'charged_oxygen_or_sulfur_atoms', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of methyl-[(2-oxocyclopentyl)methoxymethylidene]oxidanium?
The IUPAC name of methyl-[(2-oxocyclopentyl)methoxymethylidene]oxidanium (CID 102070842) is methyl-[(2-oxocyclopentyl)methoxymethylidene]oxidanium.
What is the SMILES notation for methyl-[(2-oxocyclopentyl)methoxymethylidene]oxidanium?
The canonical SMILES for methyl-[(2-oxocyclopentyl)methoxymethylidene]oxidanium is C/[O+]=[C-]/OCC1CCCC1=O.
What is the InChIKey of methyl-[(2-oxocyclopentyl)methoxymethylidene]oxidanium?
The InChIKey is GNNZZRCGRMZOBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12O3/c1-10-6-11-5-7-3-2-4-8(7)9/h7H,2-5H2,1H3.
What are the key properties of methyl-[(2-oxocyclopentyl)methoxymethylidene]oxidanium?
methyl-[(2-oxocyclopentyl)methoxymethylidene]oxidanium has a molecular weight of 156.18 g/mol, XLogP of 0.60, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl-[(2-oxocyclopentyl)methoxymethylidene]oxidanium is sourced from PubChem (CID 102070842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).